5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine

C16H12F3N3 — CID 175294607

IUPAC5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine
SMILESCc1c(F)cc(-c2ccn(Cc3ccc(F)nc3)n2)cc1F
InChIInChI=1S/C16H12F3N3/c1-10-13(17)6-12(7-14(10)18)15-4-5-22(21-15)9-11-2-3-16(19)20-8-11/h2-8H,9H2,1H3
InChIKeyGGPKPXSGWJMVRQ-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.72
Rot. Bonds3

About 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine

5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine (PubChem CID 175294607) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine.

Molecular Properties

Compound Name5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine
PubChem CID175294607
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine
SMILESCc1c(F)cc(-c2ccn(Cc3ccc(F)nc3)n2)cc1F
InChIInChI=1S/C16H12F3N3/c1-10-13(17)6-12(7-14(10)18)15-4-5-22(21-15)9-11-2-3-16(19)20-8-11/h2-8H,9H2,1H3
InChIKeyGGPKPXSGWJMVRQ-UHFFFAOYSA-N
XLogP3.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine?
The IUPAC name of 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine (CID 175294607) is 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine.
What is the SMILES notation for 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine?
The canonical SMILES for 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine is Cc1c(F)cc(-c2ccn(Cc3ccc(F)nc3)n2)cc1F.
What is the InChIKey of 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine?
The InChIKey is GGPKPXSGWJMVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-10-13(17)6-12(7-14(10)18)15-4-5-22(21-15)9-11-2-3-16(19)20-8-11/h2-8H,9H2,1H3.
What are the key properties of 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine?
5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine has a molecular weight of 303.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine is sourced from PubChem (CID 175294607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).